1-Methylpiperazine

HCID 53167CAS 109-01-3

Basic information

Standard SMILES
CN1CCNCC1
InChIKey
PVOAHINGSUIXLS-UHFFFAOYSA-N
Molecular formula
C5H12N2
Average molar mass
100.16 g/mol
Monoisotopic mass
100.10004839

Names & identifiers

Preferred name
1-Methylpiperazine
IUPAC
1-methylpiperazine
English name
1-Methylpiperazine
Molecular formula
C5H12N2
Molecular weight
100.16

Names & synonyms

1-MethylpiperazineN-Methylpiperazine109-01-3PIPERAZINE, 1-METHYL-1-methyl piperazineB92I95EL9QNSC-30195NSC-30675DTXSID4021898RefChem:434645DTXCID601898CHEBI:46920
Show more names
NMPRZ1-MethyipiperazineN-MethylpiperazinPiperazine,1-methyl-CL046AKOS BBS-000036651-methyl-piperazin
203-639-54-Methylpiperazinen-methyl piperazine1-Methyl-piperazineMETHYLPIPERAZINEmethyl piperazineN-METHYL-PIPERAZINE1-methylpyperazine

Database identifiers

CAS
109-01-3
PubChem CID
53167
DTXSID
DTXSID4021898
ChEMBL
CHEMBL1011
ChEBI
CHEBI:166561
UNII
B92I95EL9Q
EC Number
203-639-5
Nikkaji
J1.011A

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Vapor Pressure3.0 [mmHg]
Physical DescriptionClear light yellow hygroscopic liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index · 2 items

839;847;852;838.5

1266;1270;1274;1282;1282;1286;1262

Physicochemical properties

Melting point
-6 °C · -6 °C
Boiling point
138 °C · 138 °C(lit.)
Density
0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
vapor density
3.5 · 3.5 (vs air)
vapor pressure
12 hPa · 12 hPa (20 °C)
refractive index
20 · n20/D 1.466(lit.)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 1.1% (4 of 377) of reports.

Danger

H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids];H312 (44.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (53.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (51.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (24.4%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (56.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 377 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 377 reports by companies.;There are 23 notifications provided by 373 of 377 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

1-Methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary · 1 item

Causes skin corrosion in acute dermal studies of rabbits; Causes convulsions in acute inhalation studies of mice; Causes multiple liver effects, changes in renal tubules, changes in recording from peripheral motor nerve, and general anesthesia in acute oral studies of mice; [RTECS] Causes burns; May cause skin sensitization; Harmful by inhalation; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by skin absorption; Toxic by inhalation; [Sigma-Aldrich MSDS] See Piperazine and salts.

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (98.7%);Acute Tox. 4 (44.8%);Skin Corr. 1B (98.9%);Skin Sens. 1B (53.8%);Eye Dam. 1 (51.7%);Acute Tox. 1 (24.4%);Acute Tox. 3 (12.5%);Acute Tox. 4 (56.8%)

Corrosives, Flammable agents - 2nd degree

Toxicology

Adverse Effects · 1 item

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Dermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity DataLC50 (mouse) = 2,740 mg/m3/2hr

Regulatory information

Regulatory Information · 4 items

Chemical: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

1-Methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
TM1225000
ridadr
UN 2734 8/PG 2
hs_code
29335995

Chemistry & industry

Uses & manufacturing

UsesUsed to make large scale and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationPiperazine, 1-methyl-: ACTIVE
Applications · 2 items

Uses1-Methylpiperazine is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP)

Uses1-Methylpiperazine is used in the preparation of 2-(4-methyl-1-piperazinylmethyl)acrylophenone. It is involved in the preparation of 1-(4-methoxy-phenyl)-4-methyl-piperazine by reacting with 1-chloro-4-methoxy-benzene. It acts as an intermediate in the synthesis of active pharmaceutical ingredients like ofloxacin, rifampicin, clozapine, sildenafil, trifluoperazine and zopiclone. Further, it is used as a mimic template in the preparation of molecularly imprinted microspheres. In addition to this, it is used in the generation of difunctional strong anion-exchange stationary phase from a 1,4-diazacyclohexane derivative.

Upstream & downstream products

Downstream products

AZIMILIDE3-(4-Methylpiperazin-1-yl)aniline2-(4-Methylpiperazin-1-yl)pyrimidine-5-carbaldehyde2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrile1-Amino-4-methylpiperazineZopiclone1-Methylpiperazine dihydrochloride2-(4-Methylpiperazin-1-yl)pyrimidine-5-carbonyl chloride2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine3-(4-Methylpiperazin-1-ylmethyl)benzoic acid2-(4-Methylpiperazin-1-yl)pyrimidine-5-carboxylic acid

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: 1-Methylpiperazine is a N-methylpiperazine.

Related reactions

5,438 records

Linked notes

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